5-nitro-5(10<*>1)abeo-1β(H)-5α-cholest-10(19)-en-3β-ol acetate | 66450-78-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 5-nitro-5(10<*>1)abeo-1β(H)-5α-cholest-10(19)-en-3β-ol acetate
• 英文别名: [(1S,3R,5S,7R,10R,11S,14R,15R)-15-methyl-14-[(2R)-6-methylheptan-2-yl]-2-methylidene-7-nitro-5-tetracyclo[8.7.0.03,7.011,15]heptadecanyl] acetate
• CAS: 66450-78-0
• 化学式: C₂₉H₄₇NO₄
• 分子量: 473.696
• InChiKey: DMTVCKCOIACOGA-VEXJCEADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-nitro-5(10<*>1)abeo-1β(H)-5α-cholest-10(19)-en-3β-ol acetate 在 溶剂黄146 、 锌 作用下， 以 水 为溶剂， 反应 4.0h， 以86 mg的产率得到Acetic acid (3R,3aR,5aS,6aR,8S,9aR,11aR,11bS)-9a-amino-3-((R)-1,5-dimethyl-hexyl)-3a-methyl-6-methylene-hexadecahydro-indeno[5,4-f]azulen-8-yl ester
  参考文献：
  名称：

  Non-sensitized photooxygenation of some steroidal isoxazolidines

  摘要：

  UV irradiation of the steroidal isoxazolidines 2a, 2b, and 2c in various solvents in the presence of molecular oxygen, results in oxidative cleavage of the epoxyimino bridge to give several products; the N--unsubstituted isoxazolidine 2a afforded the nitro products 3, 4, and 5 and the azoxy compounds 6 and 7, while the N-methyl and N-acetyl derivatives 2b and 2c produced only the nitro compounds 3 and 5 as sole identifiable material. An explanation of the observed photooxygenation processes involving exciplex formation followed by proton transfer from isoxazolidine to molecular oxygen is presented.

  DOI：

  10.1016/s0040-4020(01)86567-4
• 作为产物：
  描述：

  N-methyl-5,10α-iminooxy-5(10->1)abeo-1β(H),5α-cholestan-3β-ol acetate 在 氧气 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以6%的产率得到5-nitro-5(10<*>1)abeo-1β(H)-5α-cholest-10(19)-en-3β-ol acetate
  参考文献：
  名称：

  Non-sensitized photooxygenation of some steroidal isoxazolidines

  摘要：

  UV irradiation of the steroidal isoxazolidines 2a, 2b, and 2c in various solvents in the presence of molecular oxygen, results in oxidative cleavage of the epoxyimino bridge to give several products; the N--unsubstituted isoxazolidine 2a afforded the nitro products 3, 4, and 5 and the azoxy compounds 6 and 7, while the N-methyl and N-acetyl derivatives 2b and 2c produced only the nitro compounds 3 and 5 as sole identifiable material. An explanation of the observed photooxygenation processes involving exciplex formation followed by proton transfer from isoxazolidine to molecular oxygen is presented.

  DOI：

  10.1016/s0040-4020(01)86567-4

文献信息

• LORENC, LJUBINKA B.;JURANIC, IVAN O.;DABOVIC, MILAN M.;MIHAILOVIC, MIHAIL+, TETRAHEDRON, 47,(1991) N2, C. 6389-6398
  作者：LORENC, LJUBINKA B.、JURANIC, IVAN O.、DABOVIC, MILAN M.、MIHAILOVIC, MIHAIL+

  DOI：——

  日期：——